#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0h s LYS 2 N 0.00 2.43 0.31 4.33 -0.14 0.31 -1.00 119.74 125.99 1h0h s LYS 2 Ca 0.00 -1.57 -0.18 0.00 -1.36 0.00 0.00 55.97 52.86 1h0h s LYS 2 Cb 0.00 -2.23 0.06 0.00 -1.68 0.00 0.00 37.83 33.99 1h0h s LYS 2 CO 0.00 -0.01 0.89 0.20 -0.76 0.00 0.00 175.35 175.66 1h0h s GLY 3 N -3.95 0.29 0.04 -3.33 0.00 0.32 -4.23 107.32 96.46 1h0h s GLY 3 Ca 0.41 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.54 1h0h s GLY 3 CO 0.24 0.76 -0.07 -1.36 0.00 0.00 0.00 173.10 172.67 1h0h s PHE 4 N -2.21 0.61 -0.17 1.90 0.40 0.72 -1.80 117.98 117.43 1h0h s PHE 4 Ca 0.18 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1h0h s PHE 4 Cb -0.04 -0.37 0.02 0.00 0.51 0.00 0.00 43.02 43.14 1h0h s PHE 4 CO 0.09 -0.11 -0.19 0.12 0.70 0.00 0.00 175.22 175.84 1h0h s PHE 5 N -1.48 2.63 -0.35 0.36 5.36 -0.57 -1.31 117.98 122.63 1h0h s PHE 5 Ca -0.10 -1.52 -0.08 0.00 -0.96 0.00 0.00 56.93 54.27 1h0h s PHE 5 Cb -0.09 -1.83 0.04 0.00 -0.34 0.00 0.00 43.02 40.79 1h0h s PHE 5 CO -0.00 -0.76 0.13 0.08 -1.46 0.00 0.00 175.22 173.21 1h0h s VAL 6 N 1.29 3.98 -0.79 3.12 1.01 0.51 -1.46 120.40 128.05 1h0h s VAL 6 Ca 0.04 -1.08 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 1h0h s VAL 6 Cb -0.13 -3.25 0.15 0.00 0.00 0.00 0.00 36.38 33.14 1h0h s VAL 6 CO -0.11 -0.20 0.89 -0.62 0.00 0.00 0.00 175.10 175.05 1h0h s ASP 7 N 1.46 6.53 0.62 3.32 -1.08 0.11 -0.69 116.67 126.94 1h0h s ASP 7 Ca -0.01 -2.04 0.37 0.00 -0.52 0.00 0.00 52.55 50.35 1h0h s ASP 7 Cb -0.20 -2.31 2.05 0.00 -1.46 0.00 0.00 42.92 41.00 1h0h s ASP 7 CO 0.04 -0.94 2.28 0.71 0.52 0.00 0.00 175.17 177.78 1h0h h THR 8 N 5.54 0.25 0.00 1.71 1.35 -1.76 -1.57 112.91 118.43 1h0h h THR 8 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1h0h h THR 8 Cb 1.05 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1h0h h THR 8 CO 1.00 0.01 0.00 0.35 -0.25 0.00 0.00 175.52 176.63 1h0h n THR 9 N -3.41 0.74 0.48 6.82 -2.24 -1.26 -2.26 114.28 113.15 1h0h n THR 9 Ca -0.03 0.19 0.06 0.00 -2.27 0.00 0.00 64.05 62.00 1h0h n THR 9 Cb 0.11 -0.92 0.03 0.00 -2.10 0.00 0.00 70.33 67.44 1h0h n THR 9 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h0h n ARG 10 N -1.40 1.25 -2.68 -0.78 1.74 -0.59 -4.99 116.66 109.21 1h0h n ARG 10 Ca 0.06 -0.94 -0.42 0.00 -0.77 0.00 0.00 57.85 55.78 1h0h n ARG 10 Cb 0.16 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1h0h n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h0h n THR 12 N 4.39 0.71 -3.63 0.00 -2.24 -1.26 -4.89 114.28 107.35 1h0h n THR 12 Ca 0.08 -0.84 -0.27 0.00 -2.27 0.00 0.00 64.05 60.76 1h0h n THR 12 Cb 0.49 0.73 0.04 0.00 -2.10 0.00 0.00 70.33 69.49 1h0h n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h0h n ALA 13 N 1.52 -1.22 0.33 6.98 0.00 -1.26 -4.84 120.51 122.02 1h0h n ALA 13 Ca 0.22 0.26 0.14 0.00 0.00 0.00 0.00 53.44 54.06 1h0h n ALA 13 Cb 0.60 -4.54 0.61 0.00 0.00 0.00 0.00 19.45 16.12 1h0h n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h0h n ARG 15 N -2.55 -1.28 -0.16 0.00 1.74 -1.26 -4.88 116.66 108.27 1h0h n ARG 15 Ca 0.01 1.04 -0.05 0.00 -0.77 0.00 0.00 57.85 58.07 1h0h n ARG 15 Cb 0.22 -5.29 0.04 0.00 -1.02 0.00 0.00 32.46 26.41 1h0h n ARG 15 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1h0h h GLY 16 N 0.00 0.68 1.00 -0.13 0.00 -1.91 -2.69 103.07 100.02 1h0h h GLY 16 Ca -0.32 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1h0h h GLY 16 CO 0.47 0.14 0.39 0.00 0.00 0.00 0.00 176.54 177.54 1h0h h GLN 18 N 0.88 0.43 -0.21 0.00 4.15 -1.79 -1.19 115.11 117.37 1h0h h GLN 18 Ca 0.23 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.43 1h0h h GLN 18 Cb -0.02 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 27.58 1h0h h GLN 18 CO -0.04 0.28 -0.66 0.28 -1.93 0.00 0.00 178.83 176.76 1h0h h VAL 19 N 0.44 1.28 -0.66 2.39 2.07 -1.33 -3.00 116.25 117.44 1h0h h VAL 19 Ca 0.18 -1.85 -0.04 0.00 0.82 0.00 0.00 66.70 65.81 1h0h h VAL 19 Cb 0.08 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1h0h h VAL 19 CO -0.12 0.59 0.26 0.00 0.02 0.00 0.00 177.57 178.33 1h0h h ALA 20 N 0.60 1.22 -0.23 1.67 0.00 -0.43 0.18 119.26 122.28 1h0h h ALA 20 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1h0h h ALA 20 Cb 1.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1h0h h ALA 20 CO 0.14 0.57 0.10 0.00 0.00 0.00 0.00 179.25 180.06 1h0h h LYS 22 N 0.23 1.17 -0.53 0.00 1.57 -1.19 -2.03 116.57 115.80 1h0h h LYS 22 Ca 0.08 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1h0h h LYS 22 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1h0h h LYS 22 CO -0.01 0.99 0.03 0.37 -0.57 0.00 0.00 179.45 180.26 1h0h h GLN 23 N 1.13 0.91 -0.25 3.15 -0.00 -0.33 0.10 115.11 119.83 1h0h h GLN 23 Ca 0.25 -0.28 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 1h0h h GLN 23 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.68 1h0h h GLN 23 CO -0.01 0.92 0.05 2.35 0.00 0.00 0.00 178.83 182.14 1h0h h TRP 24 N 0.79 0.44 -0.00 3.99 2.91 -0.74 -3.18 115.95 120.16 1h0h h TRP 24 Ca 0.15 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.12 1h0h h TRP 24 Cb 0.49 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1h0h h TRP 24 CO 0.04 0.52 -0.11 0.72 -1.03 0.00 0.00 178.44 178.58 1h0h n HIS 25 N -4.69 0.00 -2.43 2.65 8.25 -0.78 -4.92 115.22 113.30 1h0h n HIS 25 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 1h0h n HIS 25 Cb 0.19 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1h0h n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h0h n GLY 26 N 1.32 -0.13 3.74 -1.41 0.00 0.23 -5.01 105.19 103.93 1h0h n GLY 26 Ca 0.13 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1h0h n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h0h s ASN 27 N -2.57 7.57 0.72 1.61 0.01 -0.41 -5.03 114.94 116.83 1h0h s ASN 27 Ca 0.07 1.90 -0.11 0.00 -0.71 0.00 0.00 52.86 54.00 1h0h s ASN 27 Cb -0.03 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.05 1h0h s ASN 27 CO 0.09 0.05 1.11 -2.16 -1.51 0.00 0.00 177.10 174.67 1h0h s PRO 28 N -0.66 2.69 0.65 -0.60 0.04 -1.26 -4.75 135.00 131.11 1h0h s PRO 28 Ca 0.44 0.38 -0.13 0.00 0.04 0.00 0.00 61.00 61.73 1h0h s PRO 28 Cb -0.25 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1h0h s PRO 28 CO 0.31 -1.13 1.06 0.00 0.04 0.00 0.00 177.00 177.28 1h0h s ALA 29 N -3.39 2.71 0.25 8.56 0.00 -1.26 -4.84 121.76 123.79 1h0h s ALA 29 Ca 0.59 0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.83 1h0h s ALA 29 Cb -0.11 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1h0h s ALA 29 CO 0.51 -1.05 -0.11 0.95 0.00 0.00 0.00 175.76 176.06 1h0h s THR 30 N -2.81 1.82 0.16 0.00 -4.23 -1.26 -5.11 115.64 104.21 1h0h s THR 30 Ca 0.60 -2.20 -0.32 0.00 -1.18 0.00 0.00 61.69 58.60 1h0h s THR 30 Cb -0.15 -2.27 -0.10 0.00 1.34 0.00 0.00 72.50 71.32 1h0h s THR 30 CO 0.48 -0.43 1.57 -2.84 -0.54 0.00 0.00 174.62 172.85 1h0h s PRO 31 N -3.66 4.22 0.13 3.99 0.02 -1.26 -5.01 135.00 133.43 1h0h s PRO 31 Ca 0.27 2.35 -0.04 0.00 0.02 0.00 0.00 61.00 63.60 1h0h s PRO 31 Cb 0.01 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 1h0h s PRO 31 CO 0.10 -0.61 0.13 0.95 -0.33 0.00 0.00 177.00 177.25 1h0h s THR 32 N 1.20 0.10 0.10 0.99 -4.23 -1.26 -5.02 115.64 107.52 1h0h s THR 32 Ca 0.70 -1.69 -0.10 0.00 -1.18 0.00 0.00 61.69 59.42 1h0h s THR 32 Cb -0.43 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1h0h s THR 32 CO 0.31 -0.47 0.23 -1.83 -0.54 0.00 0.00 174.62 172.33 1h0h s GLU 33 N -4.00 0.90 -0.32 3.99 -1.05 -1.26 -5.12 118.70 111.85 1h0h s GLU 33 Ca 0.19 -0.93 -0.20 0.00 -0.15 0.00 0.00 54.97 53.88 1h0h s GLU 33 Cb 0.06 0.37 -0.01 0.00 -0.44 0.00 0.00 34.13 34.11 1h0h s GLU 33 CO -0.01 -0.30 0.64 1.21 0.95 0.00 0.00 175.26 177.75 1h0h s ASN 34 N -2.86 6.49 -0.24 0.83 3.84 -1.26 -4.89 114.94 116.85 1h0h s ASN 34 Ca 0.05 0.37 0.13 0.00 0.21 0.00 0.00 52.86 53.63 1h0h s ASN 34 Cb 0.04 -2.33 0.54 0.00 -0.55 0.00 0.00 41.25 38.95 1h0h s ASN 34 CO -0.11 -0.51 1.49 0.35 -2.79 0.00 0.00 177.10 175.53 1h0h n THR 35 N 5.44 2.47 0.00 -5.21 -2.24 -1.26 -4.89 114.28 108.59 1h0h n THR 35 Ca -0.01 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.61 1h0h n THR 35 Cb 0.49 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1h0h n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h0h n GLY 36 N -0.72 1.28 3.17 3.38 0.00 -1.26 -5.12 105.19 105.91 1h0h n GLY 36 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 1h0h n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h0h s PHE 37 N -2.00 0.07 0.14 1.61 0.08 -1.26 -5.05 117.98 111.57 1h0h s PHE 37 Ca 0.00 -0.29 0.09 0.00 0.12 0.00 0.00 56.93 56.85 1h0h s PHE 37 Cb 0.00 -0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.37 1h0h s PHE 37 CO 0.00 -0.41 1.38 0.45 -0.10 0.00 0.00 175.22 176.54 1h0h h HIS 38 N 3.56 0.00 -3.56 0.36 3.86 -2.00 -3.45 115.15 113.91 1h0h h HIS 38 Ca -0.32 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.36 1h0h h HIS 38 Cb 1.19 0.00 0.08 0.00 1.06 0.00 0.00 27.41 29.74 1h0h h HIS 38 CO 0.51 0.87 0.81 -1.14 0.86 0.00 0.00 177.93 179.84 1h0h s GLN 39 N -2.96 4.17 -0.29 2.45 0.74 -1.26 -5.00 119.66 117.51 1h0h s GLN 39 Ca 0.01 2.49 -0.20 0.00 0.05 0.00 0.00 55.36 57.70 1h0h s GLN 39 Cb 0.11 -3.03 0.18 0.00 1.10 0.00 0.00 33.01 31.36 1h0h s GLN 39 CO 0.80 -0.52 1.23 -0.80 -0.55 0.00 0.00 175.29 175.45 1h0h s ASN 40 N 0.20 -0.20 1.10 6.67 0.01 -1.26 -4.60 114.94 116.86 1h0h s ASN 40 Ca 0.58 0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 52.96 1h0h s ASN 40 Cb -0.46 0.73 0.25 0.00 0.41 0.00 0.00 41.25 42.19 1h0h s ASN 40 CO 0.52 -0.06 1.05 -2.84 -1.51 0.00 0.00 177.10 174.26 1h0h s PRO 41 N 0.64 -0.43 0.50 -0.60 0.02 -1.26 -4.94 135.00 128.93 1h0h s PRO 41 Ca -0.01 0.75 0.28 0.00 0.02 0.00 0.00 61.00 62.03 1h0h s PRO 41 Cb -0.04 -1.62 1.30 0.00 0.02 0.00 0.00 34.50 34.17 1h0h s PRO 41 CO -0.12 -3.37 1.99 -1.35 -0.33 0.00 0.00 177.00 173.82 1h0h h PRO 42 N -2.36 0.00 -2.23 5.54 0.11 -1.96 -3.46 132.00 127.64 1h0h h PRO 42 Ca -0.59 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.69 1h0h h PRO 42 Cb 1.33 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.33 1h0h h PRO 42 CO 0.53 0.14 0.52 0.34 -0.21 0.00 0.00 178.00 179.31 1h0h s ASP 43 N -6.05 -0.24 0.56 -2.05 2.15 -1.26 -5.10 116.67 104.69 1h0h s ASP 43 Ca -0.01 -0.21 -0.19 0.00 0.43 0.00 0.00 52.55 52.56 1h0h s ASP 43 Cb 0.11 0.41 -0.07 0.00 -0.30 0.00 0.00 42.92 43.08 1h0h s ASP 43 CO 0.59 -0.73 0.83 0.49 -0.17 0.00 0.00 175.17 176.18 1h0h n PHE 44 N -0.37 0.40 -4.15 -5.34 3.72 -1.26 -5.00 117.46 105.46 1h0h n PHE 44 Ca -0.07 0.46 -0.15 0.00 -0.05 0.00 0.00 57.45 57.64 1h0h n PHE 44 Cb 0.61 -2.09 -0.06 0.00 -0.94 0.00 0.00 39.48 37.00 1h0h n PHE 44 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1h0h s ASN 45 N -1.15 0.91 0.57 4.37 2.20 -1.22 -5.00 114.94 115.63 1h0h s ASN 45 Ca 0.72 -1.49 0.28 0.00 -0.94 0.00 0.00 52.86 51.42 1h0h s ASN 45 Cb -0.45 0.59 1.52 0.00 -2.00 0.00 0.00 41.25 40.91 1h0h s ASN 45 CO 0.51 -1.15 2.01 0.15 -2.94 0.00 0.00 177.10 175.67 1h0h h PHE 46 N 2.21 0.00 -0.26 1.54 3.57 -1.80 -1.73 116.94 120.47 1h0h h PHE 46 Ca -0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1h0h h PHE 46 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1h0h h PHE 46 CO 1.27 0.00 0.00 0.72 -2.23 0.00 0.00 178.31 178.07 1h0h n HIS 47 N -3.95 0.33 -3.76 0.41 8.25 -1.26 -4.67 115.22 110.56 1h0h n HIS 47 Ca 0.06 -0.23 -0.30 0.00 -0.26 0.00 0.00 57.72 57.00 1h0h n HIS 47 Cb 0.51 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.46 1h0h n HIS 47 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1h0h s THR 48 N -1.24 0.94 -0.15 1.59 2.01 -0.65 -4.55 115.64 113.58 1h0h s THR 48 Ca 0.27 -1.28 0.21 0.00 0.31 0.00 0.00 61.69 61.21 1h0h s THR 48 Cb 0.16 -1.61 -0.14 0.00 0.01 0.00 0.00 72.50 70.92 1h0h s THR 48 CO 0.23 -0.54 0.78 -1.22 -0.69 0.00 0.00 174.62 173.18 1h0h n TYR 49 N 4.84 0.63 -4.34 4.92 4.01 -1.26 -3.40 117.16 122.56 1h0h n TYR 49 Ca -0.04 0.19 -0.26 0.00 -0.16 0.00 0.00 57.90 57.63 1h0h n TYR 49 Cb 0.43 -0.85 -0.17 0.00 -0.31 0.00 0.00 39.34 38.44 1h0h n TYR 49 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1h0h s LYS 50 N -3.28 1.77 -0.12 -0.72 2.47 -1.26 -4.36 119.74 114.25 1h0h s LYS 50 Ca -0.04 -0.40 -0.04 0.00 -1.56 0.00 0.00 55.97 53.94 1h0h s LYS 50 Cb 0.10 -1.58 0.05 0.00 -1.46 0.00 0.00 37.83 34.95 1h0h s LYS 50 CO 0.83 -0.09 0.11 -1.17 0.16 0.00 0.00 175.35 175.19 1h0h s LEU 51 N 1.06 0.16 -0.51 5.43 2.96 -0.42 -4.64 118.68 122.72 1h0h s LEU 51 Ca -0.07 -0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.36 1h0h s LEU 51 Cb -0.15 -0.06 0.03 0.00 0.50 0.00 0.00 46.19 46.51 1h0h s LEU 51 CO -0.01 -0.30 1.22 -0.69 -1.32 0.00 0.00 176.35 175.25 1h0h s VAL 52 N 2.19 4.06 0.23 1.68 1.01 -1.26 -1.05 120.40 127.26 1h0h s VAL 52 Ca 0.04 1.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.84 1h0h s VAL 52 Cb -0.14 -4.57 -0.08 0.00 0.00 0.00 0.00 36.38 31.58 1h0h s VAL 52 CO -0.07 -1.10 0.74 -0.13 0.00 0.00 0.00 175.10 174.55 1h0h s ARG 53 N 4.79 4.29 -0.06 2.72 0.52 0.26 -4.63 118.95 126.84 1h0h s ARG 53 Ca 0.49 0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 56.60 1h0h s ARG 53 Cb -0.08 -2.88 0.03 0.00 0.52 0.00 0.00 34.95 32.53 1h0h s ARG 53 CO 0.29 0.39 0.02 -1.64 0.02 0.00 0.00 175.30 174.38 1h0h s MET 54 N -1.96 0.37 -0.06 3.54 -1.94 -1.26 -1.29 119.30 116.69 1h0h s MET 54 Ca 0.43 0.18 -0.01 0.00 -1.71 0.00 0.00 55.69 54.58 1h0h s MET 54 Cb -0.17 -0.76 0.03 0.00 2.01 0.00 0.00 34.83 35.94 1h0h s MET 54 CO 0.21 -0.28 0.01 -1.01 -0.01 0.00 0.00 175.02 173.94 1h0h s HIS 55 N 1.85 0.54 0.35 -0.03 3.76 -0.21 -4.81 115.29 116.74 1h0h s HIS 55 Ca 0.02 -0.08 -0.27 0.00 -0.15 0.00 0.00 55.06 54.57 1h0h s HIS 55 Cb -0.12 -0.70 -0.09 0.00 1.11 0.00 0.00 32.58 32.77 1h0h s HIS 55 CO -0.04 -0.28 1.22 -1.21 -0.85 0.00 0.00 174.74 173.58 1h0h s GLU 56 N 1.85 4.28 -0.18 1.40 2.02 -1.26 -0.56 118.70 126.26 1h0h s GLU 56 Ca 0.03 2.01 -0.09 0.00 0.02 0.00 0.00 54.97 56.93 1h0h s GLU 56 Cb -0.12 -2.94 0.06 0.00 0.10 0.00 0.00 34.13 31.23 1h0h s GLU 56 CO -0.04 -0.17 0.42 -0.65 0.02 0.00 0.00 175.26 174.84 1h0h s GLN 57 N -1.92 0.40 -0.20 1.61 -1.52 -0.29 -4.90 119.66 112.83 1h0h s GLN 57 Ca 0.51 0.83 -0.27 0.00 -1.95 0.00 0.00 55.36 54.49 1h0h s GLN 57 Cb -0.35 0.02 -0.00 0.00 -0.22 0.00 0.00 33.01 32.45 1h0h s GLN 57 CO 0.46 -0.17 0.92 -2.00 -0.25 0.00 0.00 175.29 174.25 1h0h s GLU 58 N 1.54 4.27 -0.16 2.91 2.12 -1.26 -0.55 118.70 127.57 1h0h s GLU 58 Ca -0.09 1.16 0.01 0.00 0.36 0.00 0.00 54.97 56.41 1h0h s GLU 58 Cb -0.09 -3.61 0.02 0.00 0.26 0.00 0.00 34.13 30.71 1h0h s GLU 58 CO -0.13 -0.48 -0.16 0.42 -0.54 0.00 0.00 175.26 174.37 1h0h s ILE 59 N 2.67 1.76 -1.41 -3.70 1.01 0.12 -4.69 121.20 116.96 1h0h s ILE 59 Ca 0.41 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 1h0h s ILE 59 Cb -0.16 -1.63 0.04 0.00 0.01 0.00 0.00 42.46 40.72 1h0h s ILE 59 CO 0.10 0.48 0.89 0.47 0.00 0.00 0.00 174.94 176.87 1h0h n ASP 60 N 4.71 -3.31 0.00 3.58 8.00 -1.26 -1.67 116.55 126.61 1h0h n ASP 60 Ca -0.18 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1h0h n ASP 60 Cb 0.50 -4.12 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 1h0h n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h0h n GLY 61 N -1.65 0.69 3.23 0.44 0.00 -1.26 -5.01 105.19 101.63 1h0h n GLY 61 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1h0h n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h0h s ARG 62 N -0.25 1.94 0.30 1.61 0.52 -0.67 -5.10 118.95 117.30 1h0h s ARG 62 Ca 0.00 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.14 1h0h s ARG 62 Cb 0.00 -1.78 -0.10 0.00 0.52 0.00 0.00 34.95 33.59 1h0h s ARG 62 CO 0.00 0.42 1.22 -1.50 0.02 0.00 0.00 175.30 175.46 1h0h s ILE 63 N -0.35 3.07 0.19 1.52 1.10 -1.26 0.16 121.20 125.63 1h0h s ILE 63 Ca 0.04 1.06 0.01 0.00 -0.51 0.00 0.00 60.65 61.25 1h0h s ILE 63 Cb -0.10 -3.67 -0.05 0.00 0.15 0.00 0.00 42.46 38.79 1h0h s ILE 63 CO 0.01 0.24 0.03 -0.62 -2.11 0.00 0.00 174.94 172.49 1h0h s ASP 64 N -0.57 1.12 -0.19 4.50 -1.08 0.29 -4.85 116.67 115.89 1h0h s ASP 64 Ca 0.48 -1.24 -0.04 0.00 -0.52 0.00 0.00 52.55 51.23 1h0h s ASP 64 Cb -0.36 0.15 0.06 0.00 -1.46 0.00 0.00 42.92 41.31 1h0h s ASP 64 CO 0.47 -0.63 0.07 0.86 0.52 0.00 0.00 175.17 176.46 1h0h s TRP 65 N -3.72 0.57 -0.15 -5.34 -0.11 -1.26 -1.14 118.94 107.78 1h0h s TRP 65 Ca 0.28 -0.60 -0.12 0.00 1.22 0.00 0.00 56.10 56.88 1h0h s TRP 65 Cb 0.07 -0.86 -0.05 0.00 -1.50 0.00 0.00 33.47 31.12 1h0h s TRP 65 CO 0.07 -0.58 0.24 -0.51 -4.62 0.00 0.00 176.95 171.55 1h0h s LEU 66 N 2.01 4.27 -0.04 5.86 1.43 0.28 -4.92 118.68 127.58 1h0h s LEU 66 Ca 0.02 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 1h0h s LEU 66 Cb -0.16 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 1h0h s LEU 66 CO -0.11 0.17 -0.17 -0.36 0.23 0.00 0.00 176.35 176.12 1h0h s PHE 67 N 0.15 2.62 -0.29 0.29 0.08 -1.26 -1.04 117.98 118.53 1h0h s PHE 67 Ca 0.15 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 56.97 1h0h s PHE 67 Cb -0.13 -1.59 0.12 0.00 -0.57 0.00 0.00 43.02 40.85 1h0h s PHE 67 CO 0.03 0.15 0.23 0.12 -0.10 0.00 0.00 175.22 175.66 1h0h s PHE 68 N -0.73 -0.15 -1.28 0.36 5.36 -0.41 -4.80 117.98 116.33 1h0h s PHE 68 Ca 0.12 -0.47 -0.19 0.00 -0.96 0.00 0.00 56.93 55.43 1h0h s PHE 68 Cb -0.10 -0.64 0.05 0.00 -0.34 0.00 0.00 43.02 41.99 1h0h s PHE 68 CO 0.01 -0.89 1.76 -1.25 -1.46 0.00 0.00 175.22 173.39 1h0h s PRO 69 N 2.23 3.83 0.38 10.12 0.04 -1.26 -0.57 135.00 149.77 1h0h s PRO 69 Ca 0.09 -1.90 -0.27 0.00 0.04 0.00 0.00 61.00 58.96 1h0h s PRO 69 Cb -0.15 -5.51 -0.09 0.00 0.04 0.00 0.00 34.50 28.79 1h0h s PRO 69 CO -0.34 -2.44 1.29 0.34 0.04 0.00 0.00 177.00 175.89 1h0h s ASP 70 N 4.47 6.52 0.19 6.66 -1.08 -0.21 -4.76 116.67 128.46 1h0h s ASP 70 Ca 0.55 2.63 -0.24 0.00 -0.52 0.00 0.00 52.55 54.97 1h0h s ASP 70 Cb 0.03 -2.64 0.05 0.00 -1.46 0.00 0.00 42.92 38.90 1h0h s ASP 70 CO 0.08 -0.70 0.84 0.00 0.52 0.00 0.00 175.17 175.91 1h0h s GLN 71 N -2.07 1.41 0.24 4.34 -2.07 -1.26 -1.30 119.66 118.94 1h0h s GLN 71 Ca 0.54 -0.75 -0.30 0.00 -1.82 0.00 0.00 55.36 53.02 1h0h s GLN 71 Cb -0.38 0.50 -0.15 0.00 -1.09 0.00 0.00 33.01 31.89 1h0h s GLN 71 CO 0.49 -0.64 1.12 0.00 -1.32 0.00 0.00 175.29 174.94 1h0h n ARG 73 N 1.27 0.42 -3.91 0.00 5.12 -1.26 -4.80 116.66 113.51 1h0h n ARG 73 Ca 0.12 -0.02 -0.39 0.00 -1.93 0.00 0.00 57.85 55.63 1h0h n ARG 73 Cb 0.29 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 30.12 1h0h n ARG 73 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1h0h n HIS 74 N -1.27 -1.62 -1.58 -1.55 8.25 -1.26 -1.24 115.22 114.95 1h0h n HIS 74 Ca 0.14 0.28 -0.45 0.00 -0.26 0.00 0.00 57.72 57.44 1h0h n HIS 74 Cb 0.25 -3.12 -0.02 0.00 1.12 0.00 0.00 29.99 28.23 1h0h n HIS 74 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h0h h ILE 76 N 1.92 1.23 -3.00 0.00 2.04 -1.46 -3.27 117.51 114.96 1h0h h ILE 76 Ca -0.39 -0.57 -0.62 0.00 1.00 0.00 0.00 64.86 64.29 1h0h h ILE 76 Cb 1.35 0.19 -0.41 0.00 -0.74 0.00 0.00 36.82 37.21 1h0h h ILE 76 CO 0.60 0.26 -0.70 0.00 0.00 0.00 0.00 178.15 178.31 1h0h s ALA 77 N -5.71 2.83 -0.34 1.87 0.00 -1.26 -5.08 121.76 114.07 1h0h s ALA 77 Ca -0.11 -3.13 -0.29 0.00 0.00 0.00 0.00 51.96 48.43 1h0h s ALA 77 Cb 0.17 -1.99 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 1h0h s ALA 77 CO 0.81 -2.05 1.48 -1.25 0.00 0.00 0.00 175.76 174.74 1h0h s PRO 78 N -0.43 3.67 0.50 0.00 0.04 -1.24 -4.88 135.00 132.67 1h0h s PRO 78 Ca 0.22 1.22 0.28 0.00 0.04 0.00 0.00 61.00 62.77 1h0h s PRO 78 Cb -0.14 -4.01 1.28 0.00 0.04 0.00 0.00 34.50 31.67 1h0h s PRO 78 CO -0.09 -1.44 1.97 -1.00 0.04 0.00 0.00 177.00 176.49 1h0h h PRO 79 N 10.65 0.00 -0.24 0.56 0.13 -1.93 -1.68 132.00 139.49 1h0h h PRO 79 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1h0h h PRO 79 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1h0h h PRO 79 CO 1.05 0.13 0.12 0.00 -0.23 0.00 0.00 178.00 179.07 1h0h h LYS 81 N 0.26 0.61 -0.96 0.00 3.64 -1.86 -1.91 116.57 116.35 1h0h h LYS 81 Ca 0.08 -0.24 0.21 0.00 -1.27 0.00 0.00 60.65 59.43 1h0h h LYS 81 Cb 0.11 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.81 1h0h h LYS 81 CO -0.01 0.81 0.62 0.00 -2.27 0.00 0.00 179.45 178.60 1h0h h ALA 82 N 0.79 2.05 0.00 5.00 0.00 -1.17 0.18 119.26 126.12 1h0h h ALA 82 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1h0h h ALA 82 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1h0h h ALA 82 CO 0.03 -0.38 -0.04 1.15 0.00 0.00 0.00 179.25 180.01 1h0h h THR 83 N 0.52 1.64 -0.25 0.00 2.02 -1.18 -3.31 112.91 112.35 1h0h h THR 83 Ca 0.53 -1.94 -0.04 0.00 0.77 0.00 0.00 66.41 65.72 1h0h h THR 83 Cb 1.15 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 70.50 1h0h h THR 83 CO -0.26 0.51 -0.03 0.00 0.37 0.00 0.00 175.52 176.11 1h0h h ALA 84 N 0.18 1.48 -0.06 6.16 0.00 -0.80 -2.04 119.26 124.19 1h0h h ALA 84 Ca -0.01 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1h0h h ALA 84 Cb 0.86 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1h0h h ALA 84 CO 0.01 0.37 0.14 -0.44 0.00 0.00 0.00 179.25 179.33 1h0h h ASP 85 N 0.37 0.00 0.89 0.00 5.19 -0.74 0.16 116.42 122.30 1h0h h ASP 85 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1h0h h ASP 85 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1h0h h ASP 85 CO 0.01 0.00 0.00 0.24 -3.12 0.00 0.00 179.24 176.37 1h0h h MET 86 N 0.00 0.00 0.00 3.56 2.86 -1.48 -3.31 114.93 116.57 1h0h h MET 86 Ca 0.03 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.51 1h0h h MET 86 Cb 0.31 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1h0h h MET 86 CO -0.00 0.00 -1.57 -1.91 1.06 0.00 0.00 176.91 174.49 1h0h n GLU 87 N -2.49 0.23 -3.15 1.72 2.13 -0.02 -5.02 120.64 114.04 1h0h n GLU 87 Ca 0.02 0.08 0.04 0.00 0.66 0.00 0.00 57.16 57.96 1h0h n GLU 87 Cb 0.27 -1.03 -0.01 0.00 0.27 0.00 0.00 31.44 30.95 1h0h n GLU 87 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1h0h s ASP 88 N -5.45 -1.46 0.18 4.31 2.15 0.37 -5.03 116.67 111.74 1h0h s ASP 88 Ca -0.14 0.63 0.17 0.00 0.43 0.00 0.00 52.55 53.64 1h0h s ASP 88 Cb 0.05 2.11 0.79 0.00 -0.30 0.00 0.00 42.92 45.57 1h0h s ASP 88 CO 0.20 -0.27 1.53 -0.62 -0.17 0.00 0.00 175.17 175.84 1h0h n GLU 89 N 5.43 0.11 0.00 4.34 1.02 -1.26 -1.94 120.64 128.34 1h0h n GLU 89 Ca 0.01 0.46 0.13 0.00 -0.02 0.00 0.00 57.16 57.74 1h0h n GLU 89 Cb 0.52 -1.76 0.23 0.00 -0.02 0.00 0.00 31.44 30.41 1h0h n GLU 89 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1h0h n SER 90 N -1.97 2.36 -0.11 1.62 3.41 -1.26 -4.33 113.62 113.33 1h0h n SER 90 Ca 0.01 -1.74 -0.13 0.00 -0.26 0.00 0.00 58.87 56.75 1h0h n SER 90 Cb 0.12 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1h0h n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h0h h ALA 91 N 4.46 0.51 -3.16 7.33 0.00 -1.71 -3.42 119.26 123.28 1h0h h ALA 91 Ca 0.00 -0.43 -0.63 0.00 0.00 0.00 0.00 54.91 53.85 1h0h h ALA 91 Cb 0.80 -0.11 -0.35 0.00 0.00 0.00 0.00 17.79 18.13 1h0h h ALA 91 CO 0.00 0.57 -0.85 0.42 0.00 0.00 0.00 179.25 179.40 1h0h s ILE 92 N -4.40 1.75 -0.11 0.00 1.01 -1.26 -1.80 121.20 116.39 1h0h s ILE 92 Ca -0.12 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 1h0h s ILE 92 Cb 0.10 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1h0h s ILE 92 CO 0.86 0.49 0.25 -0.63 0.00 0.00 0.00 174.94 175.91 1h0h s ILE 93 N 1.18 5.31 -0.42 2.92 1.01 0.51 -4.90 121.20 126.81 1h0h s ILE 93 Ca -0.01 0.47 -0.05 0.00 0.00 0.00 0.00 60.65 61.07 1h0h s ILE 93 Cb -0.14 -3.56 0.11 0.00 0.01 0.00 0.00 42.46 38.88 1h0h s ILE 93 CO -0.07 0.53 0.23 -2.28 0.00 0.00 0.00 174.94 173.35 1h0h s HIS 94 N -0.49 3.52 -0.15 3.97 2.46 -1.26 0.62 115.29 123.96 1h0h s HIS 94 Ca 0.17 -2.20 -0.29 0.00 0.47 0.00 0.00 55.06 53.21 1h0h s HIS 94 Cb -0.13 -3.22 -0.02 0.00 -0.13 0.00 0.00 32.58 29.07 1h0h s HIS 94 CO 0.06 -0.96 1.38 0.34 -2.47 0.00 0.00 174.74 173.09 1h0h s ASP 95 N 2.02 6.84 0.19 9.88 2.15 0.16 -4.93 116.67 132.97 1h0h s ASP 95 Ca 0.07 1.81 -0.09 0.00 0.43 0.00 0.00 52.55 54.77 1h0h s ASP 95 Cb -0.23 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 39.94 1h0h s ASP 95 CO -0.03 -0.84 1.67 -0.78 -0.17 0.00 0.00 175.17 175.02 1h0h h ASP 96 N 8.71 1.06 -0.09 -0.34 1.82 -1.96 0.24 116.42 125.87 1h0h h ASP 96 Ca -0.30 -0.28 -0.08 0.00 -0.39 0.00 0.00 57.03 55.98 1h0h h ASP 96 Cb 1.12 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.84 1h0h h ASP 96 CO 0.97 1.08 -0.19 0.00 -1.61 0.00 0.00 179.24 179.49 1h0h h ALA 97 N 1.03 1.19 0.00 -0.78 0.00 -1.98 -3.35 119.26 115.37 1h0h h ALA 97 Ca 0.19 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1h0h h ALA 97 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1h0h h ALA 97 CO 0.02 0.52 -1.33 0.25 0.00 0.00 0.00 179.25 178.71 1h0h n THR 98 N -4.17 0.17 -0.58 0.00 -2.24 -1.19 -3.80 114.28 102.47 1h0h n THR 98 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1h0h n THR 98 Cb 0.36 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1h0h n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h0h n GLY 99 N 2.37 0.76 3.72 3.38 0.00 0.84 -0.53 105.19 115.75 1h0h n GLY 99 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1h0h n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0h s VAL 101 N 0.50 5.23 -0.34 0.00 1.01 -1.26 -0.67 120.40 124.88 1h0h s VAL 101 Ca 0.70 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 1h0h s VAL 101 Cb -0.53 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 31.85 1h0h s VAL 101 CO 0.42 -0.46 0.11 -0.22 0.00 0.00 0.00 175.10 174.94 1h0h s LEU 102 N 1.71 4.30 0.06 3.92 2.96 0.20 -4.78 118.68 127.05 1h0h s LEU 102 Ca 0.05 -1.08 -0.31 0.00 -0.22 0.00 0.00 54.13 52.58 1h0h s LEU 102 Cb -0.21 -1.88 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 1h0h s LEU 102 CO 0.09 -0.32 1.20 -0.36 -1.32 0.00 0.00 176.35 175.64 1h0h s PHE 103 N 1.43 3.44 0.35 5.38 0.40 -1.26 -0.36 117.98 127.35 1h0h s PHE 103 Ca -0.01 1.30 0.08 0.00 -0.60 0.00 0.00 56.93 57.70 1h0h s PHE 103 Cb -0.19 -3.42 -0.04 0.00 0.51 0.00 0.00 43.02 39.87 1h0h s PHE 103 CO 0.03 -1.29 0.15 0.95 0.70 0.00 0.00 175.22 175.77 1h0h s THR 104 N 1.04 2.94 0.60 0.64 -4.23 -0.74 -4.91 115.64 110.99 1h0h s THR 104 Ca 0.59 -1.68 0.29 0.00 -1.18 0.00 0.00 61.69 59.70 1h0h s THR 104 Cb -0.30 -2.98 0.36 0.00 1.34 0.00 0.00 72.50 70.93 1h0h s THR 104 CO 0.29 -0.16 1.93 -0.65 -0.54 0.00 0.00 174.62 175.49 1h0h h PRO 105 N 1.52 0.00 0.00 3.99 0.11 -1.87 -0.52 132.00 135.23 1h0h h PRO 105 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1h0h h PRO 105 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1h0h h PRO 105 CO 0.64 0.00 0.09 0.87 -0.21 0.00 0.00 178.00 179.38 1h0h h LYS 106 N 0.00 0.00 -0.16 1.05 1.79 -1.87 0.11 116.57 117.49 1h0h h LYS 106 Ca 0.16 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.67 1h0h h LYS 106 Cb 0.99 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 1h0h h LYS 106 CO -0.00 0.00 0.18 1.79 -1.08 0.00 0.00 179.45 180.34 1h0h h THR 107 N 0.00 0.46 -0.20 -0.16 1.35 -1.27 -0.44 112.91 112.66 1h0h h THR 107 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 1h0h h THR 107 Cb 0.17 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 1h0h h THR 107 CO 0.00 0.00 0.18 0.50 -0.25 0.00 0.00 175.52 175.95 1h0h h LYS 108 N 0.00 0.00 -0.21 4.72 3.64 -0.96 -1.79 116.57 121.97 1h0h h LYS 108 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1h0h h LYS 108 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1h0h h LYS 108 CO -0.00 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 1h0h n ASP 109 N -4.07 2.04 -4.71 4.20 8.00 -0.17 -4.35 116.55 117.49 1h0h n ASP 109 Ca 0.02 -1.78 -0.42 0.00 0.71 0.00 0.00 54.79 53.32 1h0h n ASP 109 Cb 0.31 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1h0h n ASP 109 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1h0h s LEU 110 N -1.54 4.37 0.08 0.64 1.43 -0.67 -4.93 118.68 118.06 1h0h s LEU 110 Ca 0.33 1.79 -0.13 0.00 -1.03 0.00 0.00 54.13 55.09 1h0h s LEU 110 Cb 0.18 -3.57 -0.21 0.00 0.03 0.00 0.00 46.19 42.62 1h0h s LEU 110 CO 0.27 -0.33 1.22 1.05 0.23 0.00 0.00 176.35 178.79 1h0h h GLU 111 N 6.76 0.72 -2.81 1.70 4.11 -1.90 -3.38 114.58 119.80 1h0h h GLU 111 Ca -0.41 -0.73 -0.75 0.00 0.07 0.00 0.00 59.36 57.54 1h0h h GLU 111 Cb 1.22 0.20 -0.32 0.00 0.50 0.00 0.00 28.75 30.34 1h0h h GLU 111 CO 0.77 1.31 0.37 -3.47 0.07 0.00 0.00 179.01 178.06 1h0h n ASP 112 N -3.87 5.59 0.10 3.06 -0.08 -1.26 -4.80 116.55 115.29 1h0h n ASP 112 Ca -0.10 -3.38 -0.03 0.00 -1.51 0.00 0.00 54.79 49.76 1h0h n ASP 112 Cb 0.85 -1.12 0.16 0.00 2.34 0.00 0.00 41.12 43.36 1h0h n ASP 112 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1h0h h TYR 113 N 5.24 0.23 -0.85 -0.67 -0.00 -1.94 -3.17 116.97 115.82 1h0h h TYR 113 Ca 0.20 -0.08 0.03 0.00 0.00 0.00 0.00 58.73 58.87 1h0h h TYR 113 Cb 0.65 -0.04 -0.05 0.00 0.00 0.00 0.00 36.73 37.29 1h0h h TYR 113 CO 0.91 0.69 0.55 0.93 -0.00 0.00 0.00 178.16 181.24 1h0h h GLU 114 N 0.14 1.05 -0.56 0.10 5.08 -1.96 -0.70 114.58 117.72 1h0h h GLU 114 Ca -0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1h0h h GLU 114 Cb 1.02 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1h0h h GLU 114 CO 0.08 0.69 0.37 0.77 -1.00 0.00 0.00 179.01 179.93 1h0h h SER 115 N 1.08 0.56 -0.07 1.42 0.02 -1.96 0.90 113.55 115.50 1h0h h SER 115 Ca 0.33 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1h0h h SER 115 Cb -0.02 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1h0h h SER 115 CO -0.11 0.39 -0.02 0.58 -1.14 0.00 0.00 176.83 176.53 1h0h h VAL 116 N 0.66 1.31 -0.41 2.27 2.07 -1.23 -0.93 116.25 119.98 1h0h h VAL 116 Ca 0.22 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1h0h h VAL 116 Cb 0.08 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1h0h h VAL 116 CO -0.06 0.27 0.22 0.40 0.02 0.00 0.00 177.57 178.42 1h0h h ILE 117 N -0.23 1.15 0.00 4.57 2.04 -0.94 -2.45 117.51 121.65 1h0h h ILE 117 Ca 0.02 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1h0h h ILE 117 Cb 0.44 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1h0h h ILE 117 CO 0.01 0.16 0.00 0.77 0.00 0.00 0.00 178.15 179.09 1h0h h SER 118 N 0.53 0.00 0.79 1.72 4.64 -0.80 -2.47 113.55 117.96 1h0h h SER 118 Ca 0.14 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1h0h h SER 118 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1h0h h SER 118 CO -0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.80 1h0h h ALA 119 N 2.07 1.07 -2.07 5.18 0.00 -0.66 -3.43 119.26 121.42 1h0h h ALA 119 Ca 0.00 -0.12 -0.57 0.00 0.00 0.00 0.00 54.91 54.22 1h0h h ALA 119 Cb 0.52 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1h0h h ALA 119 CO 0.00 0.17 0.94 0.00 0.00 0.00 0.00 179.25 180.36 1h0h h PRO 121 N 8.71 0.00 -0.31 0.00 0.11 -1.88 -2.61 132.00 136.01 1h0h h PRO 121 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1h0h h PRO 121 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1h0h h PRO 121 CO 0.99 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.44 1h0h n TYR 122 N -2.99 0.40 -3.72 0.65 4.01 -1.26 -4.74 117.16 109.50 1h0h n TYR 122 Ca -0.01 -0.25 -0.30 0.00 -0.16 0.00 0.00 57.90 57.18 1h0h n TYR 122 Cb 0.21 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.27 1h0h n TYR 122 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1h0h n ASP 123 N 1.20 -4.41 -0.13 7.72 2.03 -0.98 -4.89 116.55 117.09 1h0h n ASP 123 Ca 0.16 -1.01 -0.28 0.00 0.52 0.00 0.00 54.79 54.18 1h0h n ASP 123 Cb 0.53 -3.35 -0.10 0.00 -0.72 0.00 0.00 41.12 37.48 1h0h n ASP 123 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1h0h n VAL 124 N -4.23 1.47 -2.15 5.18 0.31 -1.26 -4.93 118.33 112.73 1h0h n VAL 124 Ca -0.13 -0.38 -0.37 0.00 -0.01 0.00 0.00 64.34 63.44 1h0h n VAL 124 Cb 0.61 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1h0h n VAL 124 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1h0h s PRO 125 N -2.49 3.60 0.03 5.55 0.02 -1.26 -4.87 135.00 135.57 1h0h s PRO 125 Ca -0.37 1.87 0.02 0.00 0.02 0.00 0.00 61.00 62.54 1h0h s PRO 125 Cb 0.14 -2.36 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 1h0h s PRO 125 CO 0.48 -0.71 -0.08 1.03 -0.33 0.00 0.00 177.00 177.39 1h0h s ARG 126 N -2.77 0.54 -0.12 5.54 1.81 -1.12 -4.91 118.95 117.92 1h0h s ARG 126 Ca 0.66 -0.61 -0.06 0.00 -1.72 0.00 0.00 55.73 53.99 1h0h s ARG 126 Cb -0.31 -0.38 -0.04 0.00 -0.45 0.00 0.00 34.95 33.77 1h0h s ARG 126 CO 0.37 0.08 0.12 0.21 -0.68 0.00 0.00 175.30 175.41 1h0h s LYS 127 N -1.17 3.38 0.61 3.54 2.20 -1.26 -1.54 119.74 125.51 1h0h s LYS 127 Ca -0.06 -0.16 -0.15 0.00 -0.36 0.00 0.00 55.97 55.24 1h0h s LYS 127 Cb -0.08 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1h0h s LYS 127 CO 0.00 0.77 1.05 0.54 -0.36 0.00 0.00 175.35 177.36 1h0h s VAL 128 N -1.01 3.91 0.16 4.02 0.11 -0.44 -4.44 120.40 122.70 1h0h s VAL 128 Ca 0.15 0.85 -0.13 0.00 -2.93 0.00 0.00 61.98 59.92 1h0h s VAL 128 Cb -0.12 -3.41 0.05 0.00 -1.53 0.00 0.00 36.38 31.37 1h0h s VAL 128 CO 0.04 -0.59 1.71 0.00 -3.33 0.00 0.00 175.10 172.92 1h0h h ALA 129 N 0.25 0.70 -0.00 1.54 0.00 -1.99 -3.25 119.26 116.51 1h0h h ALA 129 Ca -0.46 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1h0h h ALA 129 Cb 1.22 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1h0h h ALA 129 CO 0.58 0.33 -0.02 0.39 0.00 0.00 0.00 179.25 180.52 1h0h n GLU 130 N -4.50 0.39 -1.83 0.00 4.71 -1.26 -4.91 120.64 113.25 1h0h n GLU 130 Ca 0.02 -0.03 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1h0h n GLU 130 Cb 0.17 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.11 1h0h n GLU 130 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1h0h n SER 131 N -1.28 -0.63 -0.20 1.62 3.41 -1.23 -5.02 113.62 110.30 1h0h n SER 131 Ca 0.13 -1.46 0.15 0.00 -0.26 0.00 0.00 58.87 57.43 1h0h n SER 131 Cb 0.26 1.06 0.70 0.00 -0.26 0.00 0.00 64.21 65.96 1h0h n SER 131 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1h0h n ASN 132 N -1.22 0.65 -4.75 4.04 4.13 -1.26 -4.32 115.26 112.53 1h0h n ASN 132 Ca -0.02 -1.03 -0.40 0.00 1.68 0.00 0.00 54.58 54.81 1h0h n ASN 132 Cb 0.17 -0.02 0.01 0.00 -1.54 0.00 0.00 39.78 38.40 1h0h n ASN 132 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1h0h n GLN 133 N -0.60 2.27 -4.23 3.52 7.27 -1.26 -4.32 117.38 120.02 1h0h n GLN 133 Ca 0.19 0.81 -0.20 0.00 0.07 0.00 0.00 57.00 57.86 1h0h n GLN 133 Cb 0.25 -2.59 -0.12 0.00 2.41 0.00 0.00 30.24 30.19 1h0h n GLN 133 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1h0h s MET 134 N -2.34 0.99 0.17 3.69 -1.94 -1.26 -1.33 119.30 117.28 1h0h s MET 134 Ca 0.60 -1.11 -0.09 0.00 -1.71 0.00 0.00 55.69 53.38 1h0h s MET 134 Cb -0.47 -1.07 -0.01 0.00 2.01 0.00 0.00 34.83 35.30 1h0h s MET 134 CO 0.59 0.24 0.29 0.00 -0.01 0.00 0.00 175.02 176.12 1h0h s ALA 135 N -1.44 0.05 -0.00 3.03 0.00 -0.59 -4.67 121.76 118.15 1h0h s ALA 135 Ca 0.04 -0.93 -0.26 0.00 0.00 0.00 0.00 51.96 50.81 1h0h s ALA 135 Cb -0.09 0.91 0.08 0.00 0.00 0.00 0.00 23.12 24.03 1h0h s ALA 135 CO 0.03 -0.66 1.16 0.36 0.00 0.00 0.00 175.76 176.65 1h0h n LYS 136 N -0.23 0.20 -1.55 0.00 2.85 -1.26 -2.80 118.16 115.36 1h0h n LYS 136 Ca -0.06 -0.77 -0.48 0.00 -1.05 0.00 0.00 58.31 55.95 1h0h n LYS 136 Cb 0.63 1.23 -0.03 0.00 -0.65 0.00 0.00 35.03 36.21 1h0h n LYS 136 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1h0h n ASP 138 N 1.76 3.07 -1.57 0.00 5.75 -1.26 -4.80 116.55 119.50 1h0h n ASP 138 Ca 0.14 -3.21 -0.17 0.00 -0.01 0.00 0.00 54.79 51.54 1h0h n ASP 138 Cb 0.26 -0.52 -0.07 0.00 -1.03 0.00 0.00 41.12 39.76 1h0h n ASP 138 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1h0h n MET 139 N -0.93 -1.42 -4.16 0.11 0.00 -1.26 -1.26 117.12 108.20 1h0h n MET 139 Ca 0.21 1.01 -0.32 0.00 -0.00 0.00 0.00 57.70 58.60 1h0h n MET 139 Cb 0.83 -5.35 -0.04 0.00 0.00 0.00 0.00 33.22 28.66 1h0h n MET 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1h0h h ILE 141 N -1.63 0.44 -0.48 0.00 6.09 -1.61 0.51 117.51 120.83 1h0h h ILE 141 Ca -0.62 -0.15 -0.07 0.00 -1.37 0.00 0.00 64.86 62.65 1h0h h ILE 141 Cb 1.38 -0.03 -0.02 0.00 0.47 0.00 0.00 36.82 38.63 1h0h h ILE 141 CO 0.72 0.08 0.01 -2.24 -3.07 0.00 0.00 178.15 173.65 1h0h h ASP 142 N 0.43 0.82 -0.18 2.19 2.03 -1.87 -2.22 116.42 117.62 1h0h h ASP 142 Ca 0.67 -0.30 -0.03 0.00 -0.73 0.00 0.00 57.03 56.63 1h0h h ASP 142 Cb 1.51 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.79 1h0h h ASP 142 CO -0.45 0.92 -0.01 0.03 -1.03 0.00 0.00 179.24 178.70 1h0h h ARG 143 N 0.70 0.32 0.00 4.15 3.08 -1.29 -2.74 114.38 118.60 1h0h h ARG 143 Ca 0.14 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1h0h h ARG 143 Cb 0.50 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1h0h h ARG 143 CO 0.02 0.54 0.00 -0.84 -1.07 0.00 0.00 179.97 178.63 1h0h h ILE 144 N 0.06 0.00 -0.15 2.04 3.07 -1.21 0.12 117.51 121.44 1h0h h ILE 144 Ca 0.05 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.05 1h0h h ILE 144 Cb 0.41 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1h0h h ILE 144 CO 0.01 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 177.46 1h0h n THR 145 N -2.61 0.17 -1.55 0.16 -2.24 -0.84 -4.27 114.28 103.09 1h0h n THR 145 Ca 0.02 -0.54 0.06 0.00 -2.27 0.00 0.00 64.05 61.32 1h0h n THR 145 Cb 0.30 1.18 0.20 0.00 -2.10 0.00 0.00 70.33 69.91 1h0h n THR 145 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1h0h n ASN 146 N 1.22 1.77 0.00 3.42 3.02 0.26 -4.97 115.26 119.98 1h0h n ASN 146 Ca 0.16 -3.84 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 1h0h n ASN 146 Cb 0.56 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1h0h n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h0h n GLY 147 N -1.15 0.84 3.89 7.41 0.00 -1.10 -5.00 105.19 110.08 1h0h n GLY 147 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1h0h n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h0h s LEU 148 N 0.00 3.36 0.30 0.99 1.43 -0.37 -5.02 118.68 119.37 1h0h s LEU 148 Ca 0.00 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.40 1h0h s LEU 148 Cb 0.00 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1h0h s LEU 148 CO 0.00 -0.70 0.39 -0.13 0.23 0.00 0.00 176.35 176.14 1h0h s ARG 149 N -4.16 3.14 0.57 1.70 0.52 -1.26 -3.57 118.95 115.89 1h0h s ARG 149 Ca 0.48 -0.98 -0.19 0.00 -0.52 0.00 0.00 55.73 54.52 1h0h s ARG 149 Cb -0.03 -2.77 -0.07 0.00 0.52 0.00 0.00 34.95 32.60 1h0h s ARG 149 CO 0.28 0.21 0.84 -2.30 0.02 0.00 0.00 175.30 174.35 1h0h n PRO 150 N -1.49 0.83 -0.36 3.54 -0.02 -1.26 -4.75 135.00 131.49 1h0h n PRO 150 Ca -0.04 0.32 -0.01 0.00 -2.02 0.00 0.00 63.50 61.75 1h0h n PRO 150 Cb 0.58 -2.02 0.14 0.00 -0.02 0.00 0.00 33.50 32.18 1h0h n PRO 150 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h0h h ALA 151 N 0.53 1.32 -0.28 3.55 0.00 -1.93 -0.95 119.26 121.50 1h0h h ALA 151 Ca -0.47 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1h0h h ALA 151 Cb 1.37 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1h0h h ALA 151 CO 0.50 0.61 -0.26 0.00 0.00 0.00 0.00 179.25 180.11 1h0h h VAL 153 N 0.48 1.37 -0.86 0.00 2.07 -1.79 -2.82 116.25 114.70 1h0h h VAL 153 Ca 0.07 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1h0h h VAL 153 Cb 0.70 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1h0h h VAL 153 CO 0.05 0.52 0.53 0.74 0.02 0.00 0.00 177.57 179.43 1h0h h THR 154 N 0.10 1.23 0.00 2.57 2.02 -1.10 -2.80 112.91 114.94 1h0h h THR 154 Ca -0.02 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 1h0h h THR 154 Cb 1.05 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1h0h h THR 154 CO 0.09 0.24 -0.42 -1.28 0.37 0.00 0.00 175.52 174.52 1h0h h SER 155 N 1.18 0.00 -2.43 4.18 0.87 -1.25 -3.45 113.55 112.64 1h0h h SER 155 Ca 0.31 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.32 1h0h h SER 155 Cb -0.07 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1h0h h SER 155 CO -0.06 0.42 1.23 0.00 -0.53 0.00 0.00 176.83 177.89 1h0h h PRO 157 N 11.26 0.00 -0.14 0.00 0.13 -1.89 -3.36 132.00 138.00 1h0h h PRO 157 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1h0h h PRO 157 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1h0h h PRO 157 CO 0.96 0.34 0.00 0.25 -0.23 0.00 0.00 178.00 179.32 1h0h n THR 158 N -3.25 0.21 -1.07 1.56 -2.24 -1.26 -4.95 114.28 103.28 1h0h n THR 158 Ca 0.02 -0.61 -0.02 0.00 -2.27 0.00 0.00 64.05 61.17 1h0h n THR 158 Cb 0.61 1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 70.03 1h0h n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h0h n GLY 159 N 1.07 0.58 0.31 3.38 0.00 -1.26 -4.90 105.19 104.38 1h0h n GLY 159 Ca 0.13 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 1h0h n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0h h ALA 160 N 0.00 0.95 -2.92 4.61 0.00 -1.81 -3.43 119.26 116.67 1h0h h ALA 160 Ca -0.05 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 54.10 1h0h h ALA 160 Cb 0.26 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1h0h h ALA 160 CO 0.07 0.56 -0.15 -1.64 0.00 0.00 0.00 179.25 178.09 1h0h s MET 161 N -5.59 4.32 0.03 0.00 -1.94 -1.26 0.08 119.30 114.94 1h0h s MET 161 Ca -0.13 0.41 0.01 0.00 -1.71 0.00 0.00 55.69 54.27 1h0h s MET 161 Cb 0.15 -3.45 -0.02 0.00 2.01 0.00 0.00 34.83 33.52 1h0h s MET 161 CO 0.82 0.14 -0.06 -0.80 -0.01 0.00 0.00 175.02 175.11 1h0h s ASN 162 N 0.66 0.58 -0.01 3.03 0.01 -0.53 -4.92 114.94 113.76 1h0h s ASN 162 Ca 0.25 -0.49 -0.07 0.00 -0.71 0.00 0.00 52.86 51.84 1h0h s ASN 162 Cb -0.15 0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.57 1h0h s ASN 162 CO 0.10 -0.22 0.14 0.12 -1.51 0.00 0.00 177.10 175.72 1h0h s PHE 163 N -1.31 0.02 -1.49 2.20 5.36 -1.26 -1.51 117.98 119.99 1h0h s PHE 163 Ca -0.11 -0.06 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 1h0h s PHE 163 Cb -0.09 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 1h0h s PHE 163 CO -0.00 -0.26 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 1h0h n GLY 164 N 1.66 -0.78 3.75 13.12 0.00 -0.74 -5.01 105.19 117.19 1h0h n GLY 164 Ca -0.21 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 1h0h n GLY 164 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h0h s ASP 165 N -4.00 5.11 0.18 1.61 1.01 -1.26 -0.52 116.67 118.80 1h0h s ASP 165 Ca 0.00 2.76 -0.14 0.00 0.71 0.00 0.00 52.55 55.88 1h0h s ASP 165 Cb 0.00 -2.63 0.15 0.00 1.01 0.00 0.00 42.92 41.45 1h0h s ASP 165 CO 0.00 -1.68 1.74 0.25 0.21 0.00 0.00 175.17 175.69 1h0h h LEU 166 N 1.27 0.10 -0.65 1.23 5.85 -1.24 -2.04 115.31 119.84 1h0h h LEU 166 Ca -0.51 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.35 1h0h h LEU 166 Cb 1.31 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 1h0h h LEU 166 CO 0.56 0.09 0.33 0.28 -0.34 0.00 0.00 178.44 179.36 1h0h h SER 167 N 0.29 0.45 -0.78 1.25 0.02 -1.91 0.20 113.55 113.08 1h0h h SER 167 Ca 0.22 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1h0h h SER 167 Cb 0.25 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1h0h h SER 167 CO -0.25 0.28 0.42 -0.33 -1.14 0.00 0.00 176.83 175.81 1h0h h GLU 168 N 0.59 1.08 -0.32 3.45 5.08 -1.76 -1.98 114.58 120.72 1h0h h GLU 168 Ca 0.31 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1h0h h GLU 168 Cb 0.27 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1h0h h GLU 168 CO -0.23 0.80 -0.24 0.52 -1.00 0.00 0.00 179.01 178.86 1h0h h MET 169 N 1.08 0.63 -0.59 2.33 2.86 -0.73 0.08 114.93 120.58 1h0h h MET 169 Ca 0.27 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1h0h h MET 169 Cb 0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1h0h h MET 169 CO -0.04 0.82 0.14 0.93 1.06 0.00 0.00 176.91 179.82 1h0h h GLU 170 N 0.55 0.94 -0.41 1.72 5.08 -0.79 -0.78 114.58 120.90 1h0h h GLU 170 Ca 0.08 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1h0h h GLU 170 Cb 0.71 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1h0h h GLU 170 CO 0.05 0.87 0.05 0.00 -1.00 0.00 0.00 179.01 178.98 1h0h h ALA 171 N 1.03 0.54 -0.35 3.43 0.00 -0.99 -2.05 119.26 120.88 1h0h h ALA 171 Ca 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1h0h h ALA 171 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1h0h h ALA 171 CO 0.00 0.27 0.20 1.98 0.00 0.00 0.00 179.25 181.70 1h0h h MET 172 N 0.53 0.48 -0.54 0.00 1.85 -0.81 -1.12 114.93 115.31 1h0h h MET 172 Ca 0.12 -0.05 0.02 0.00 -0.61 0.00 0.00 59.70 59.19 1h0h h MET 172 Cb 0.39 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.29 1h0h h MET 172 CO 0.01 0.37 0.33 0.00 -0.40 0.00 0.00 176.91 177.22 1h0h h ALA 173 N 1.08 0.69 -0.31 0.39 0.00 -1.04 0.17 119.26 120.25 1h0h h ALA 173 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1h0h h ALA 173 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1h0h h ALA 173 CO -0.02 0.05 0.06 0.77 0.00 0.00 0.00 179.25 180.11 1h0h h SER 174 N 0.66 0.48 -0.65 0.00 0.02 -1.15 0.15 113.55 113.06 1h0h h SER 174 Ca 0.21 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1h0h h SER 174 Cb 0.01 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1h0h h SER 174 CO -0.09 0.60 0.24 0.00 -1.14 0.00 0.00 176.83 176.44 1h0h h ALA 175 N 0.89 1.15 -0.19 3.77 0.00 -0.94 -0.71 119.26 123.24 1h0h h ALA 175 Ca 0.09 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1h0h h ALA 175 Cb 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1h0h h ALA 175 CO 0.00 0.60 -0.65 -0.09 0.00 0.00 0.00 179.25 179.12 1h0h h ARG 176 N 0.99 0.69 -0.38 0.00 9.65 -0.74 -1.70 114.38 122.88 1h0h h ARG 176 Ca 0.22 -0.50 0.01 0.00 -1.10 0.00 0.00 59.98 58.62 1h0h h ARG 176 Cb 0.24 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1h0h h ARG 176 CO -0.01 1.12 0.23 1.25 2.80 0.00 0.00 179.97 185.35 1h0h h LEU 177 N 0.50 0.38 -0.80 3.80 5.85 -0.68 -2.28 115.31 122.09 1h0h h LEU 177 Ca -0.02 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1h0h h LEU 177 Cb 1.24 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 1h0h h LEU 177 CO 0.13 0.27 0.49 0.00 -0.34 0.00 0.00 178.44 178.99 1h0h h ALA 178 N 1.16 1.08 -0.48 1.25 0.00 -0.89 -1.36 119.26 120.02 1h0h h ALA 178 Ca 0.15 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1h0h h ALA 178 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1h0h h ALA 178 CO -0.06 0.23 0.34 1.49 0.00 0.00 0.00 179.25 181.25 1h0h h GLU 179 N 0.91 0.05 -0.00 0.00 4.81 -0.73 -3.12 114.58 116.50 1h0h h GLU 179 Ca 0.34 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1h0h h GLU 179 Cb 0.14 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1h0h h GLU 179 CO -0.16 0.04 -0.06 0.44 -0.73 0.00 0.00 179.01 178.53 1h0h n ILE 180 N -4.41 0.00 -0.34 2.32 -5.35 -0.85 -4.69 119.36 106.04 1h0h n ILE 180 Ca 0.08 -0.47 0.09 0.00 -0.27 0.00 0.00 62.75 62.18 1h0h n ILE 180 Cb 0.52 1.07 0.27 0.00 -1.74 0.00 0.00 39.64 39.76 1h0h n ILE 180 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1h0h h LYS 181 N 0.63 0.89 0.42 6.28 1.79 -1.20 0.17 116.57 125.55 1h0h h LYS 181 Ca 0.00 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1h0h h LYS 181 Cb 0.16 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1h0h h LYS 181 CO 0.00 0.59 -0.20 0.00 -1.08 0.00 0.00 179.45 178.76 1h0h h ALA 182 N 1.56 -0.56 0.00 3.86 0.00 -1.84 -1.36 119.26 120.92 1h0h h ALA 182 Ca 0.49 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1h0h h ALA 182 Cb 0.56 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1h0h h ALA 182 CO -0.26 -0.74 -0.41 0.00 0.00 0.00 0.00 179.25 177.84 1h0h h ALA 183 N -0.20 1.26 -2.83 0.00 0.00 -1.85 -3.35 119.26 112.29 1h0h h ALA 183 Ca -0.06 -0.37 -0.61 0.00 0.00 0.00 0.00 54.91 53.87 1h0h h ALA 183 Cb 0.51 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 17.83 1h0h h ALA 183 CO 0.09 0.51 -0.75 0.71 0.00 0.00 0.00 179.25 179.81 1h0h s TYR 184 N -4.02 2.31 -0.25 0.00 2.02 0.59 -4.96 117.35 113.03 1h0h s TYR 184 Ca -0.02 -2.75 0.25 0.00 -0.37 0.00 0.00 57.07 54.17 1h0h s TYR 184 Cb 0.14 -1.90 1.18 0.00 -0.40 0.00 0.00 41.96 40.98 1h0h s TYR 184 CO 0.72 -0.71 1.76 0.66 -1.57 0.00 0.00 175.55 176.41 1h0h h SER 185 N 5.87 0.00 -0.70 2.29 4.64 -1.40 -1.13 113.55 123.12 1h0h h SER 185 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1h0h h SER 185 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1h0h h SER 185 CO 0.54 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.97 1h0h n ASP 186 N -2.37 4.34 -4.77 4.97 9.92 -1.26 -4.97 116.55 122.42 1h0h n ASP 186 Ca 0.00 -2.21 -0.34 0.00 -0.53 0.00 0.00 54.79 51.71 1h0h n ASP 186 Cb 0.15 -0.53 0.03 0.00 -0.64 0.00 0.00 41.12 40.13 1h0h n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h0h s ALA 187 N -1.39 2.55 0.10 2.24 0.00 -0.43 -3.85 121.76 120.98 1h0h s ALA 187 Ca 0.50 0.67 -0.26 0.00 0.00 0.00 0.00 51.96 52.87 1h0h s ALA 187 Cb 0.29 -3.34 0.08 0.00 0.00 0.00 0.00 23.12 20.15 1h0h s ALA 187 CO 0.29 -1.09 0.81 -1.59 0.00 0.00 0.00 175.76 174.18 1h0h s LYS 188 N -3.76 1.11 0.20 0.00 -2.85 -0.57 -4.93 119.74 108.94 1h0h s LYS 188 Ca 0.70 -0.49 -0.12 0.00 -1.00 0.00 0.00 55.97 55.06 1h0h s LYS 188 Cb -0.22 0.46 -0.07 0.00 -2.06 0.00 0.00 37.83 35.94 1h0h s LYS 188 CO 0.36 -0.50 0.57 -0.51 0.10 0.00 0.00 175.35 175.37 1h0h s LEU 189 N -2.69 4.23 -0.36 2.77 1.43 -1.26 -1.93 118.68 120.87 1h0h s LEU 189 Ca 0.06 1.02 -0.20 0.00 -1.03 0.00 0.00 54.13 53.99 1h0h s LEU 189 Cb -0.02 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1h0h s LEU 189 CO -0.06 -0.01 0.60 0.00 0.23 0.00 0.00 176.35 177.10 1h0h n ASP 191 N 5.97 -1.63 0.30 0.00 8.00 -1.26 -4.45 116.55 123.49 1h0h n ASP 191 Ca -0.02 -1.25 0.19 0.00 0.71 0.00 0.00 54.79 54.42 1h0h n ASP 191 Cb 0.49 -1.52 0.95 0.00 -0.02 0.00 0.00 41.12 41.02 1h0h n ASP 191 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1h0h h PRO 192 N -2.08 0.00 0.00 -0.24 0.13 -1.92 -1.78 132.00 126.11 1h0h h PRO 192 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1h0h h PRO 192 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1h0h h PRO 192 CO 0.58 0.02 -0.50 -0.25 -0.23 0.00 0.00 178.00 177.63 1h0h n ASP 193 N -3.22 0.51 -0.00 1.44 8.00 -1.26 -4.41 116.55 117.60 1h0h n ASP 193 Ca -0.02 -0.09 0.06 0.00 0.71 0.00 0.00 54.79 55.45 1h0h n ASP 193 Cb 0.18 0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.37 1h0h n ASP 193 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1h0h n ASP 194 N -1.67 1.58 -4.45 -2.24 8.00 -0.67 -4.96 116.55 112.14 1h0h n ASP 194 Ca 0.05 -0.32 -0.22 0.00 0.71 0.00 0.00 54.79 55.01 1h0h n ASP 194 Cb 0.36 1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 42.68 1h0h n ASP 194 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1h0h s VAL 195 N -2.51 1.69 -0.12 2.53 -7.23 -1.19 -1.19 120.40 112.37 1h0h s VAL 195 Ca -0.01 -2.12 0.19 0.00 -1.81 0.00 0.00 61.98 58.23 1h0h s VAL 195 Cb 0.08 -2.51 -0.22 0.00 0.56 0.00 0.00 36.38 34.29 1h0h s VAL 195 CO 0.48 -0.26 0.53 0.54 -0.31 0.00 0.00 175.10 176.08 1h0h n ARG 196 N -0.62 0.65 -3.47 4.82 1.74 -0.37 -4.71 116.66 114.70 1h0h n ARG 196 Ca -0.05 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.61 1h0h n ARG 196 Cb 0.64 -1.64 -0.07 0.00 -1.02 0.00 0.00 32.46 30.37 1h0h n ARG 196 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1h0h s VAL 197 N -3.04 4.62 -0.36 1.55 1.01 -0.76 -0.20 120.40 123.21 1h0h s VAL 197 Ca -0.06 -1.59 -0.14 0.00 0.00 0.00 0.00 61.98 60.18 1h0h s VAL 197 Cb 0.10 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1h0h s VAL 197 CO 0.85 -0.76 0.30 -0.63 0.00 0.00 0.00 175.10 174.86 1h0h s ILE 198 N 1.47 5.23 -0.05 2.22 1.01 -0.42 -4.87 121.20 125.79 1h0h s ILE 198 Ca 0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 1h0h s ILE 198 Cb -0.27 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1h0h s ILE 198 CO 0.01 -0.13 0.41 -0.36 0.00 0.00 0.00 174.94 174.87 1h0h s PHE 199 N 1.83 3.65 -0.19 3.97 0.40 -1.26 -0.36 117.98 126.01 1h0h s PHE 199 Ca 0.08 0.92 -0.06 0.00 -0.60 0.00 0.00 56.93 57.27 1h0h s PHE 199 Cb -0.17 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 1h0h s PHE 199 CO 0.11 0.49 0.02 -1.17 0.70 0.00 0.00 175.22 175.37 1h0h s LEU 200 N -0.51 3.46 0.22 -0.37 2.96 0.13 -0.83 118.68 123.75 1h0h s LEU 200 Ca 0.23 -0.10 0.11 0.00 -0.22 0.00 0.00 54.13 54.15 1h0h s LEU 200 Cb -0.16 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1h0h s LEU 200 CO 0.11 0.10 -0.16 0.42 -1.32 0.00 0.00 176.35 175.51 1h0h s THR 201 N 0.77 2.74 -1.51 3.68 -4.23 -0.81 -2.43 115.64 113.85 1h0h s THR 201 Ca 0.01 -2.01 0.23 0.00 -1.18 0.00 0.00 61.69 58.75 1h0h s THR 201 Cb -0.14 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1h0h s THR 201 CO 0.02 -0.22 1.18 0.00 -0.54 0.00 0.00 174.62 175.06 1h0h n ALA 202 N -0.15 3.83 -2.74 3.99 0.00 -1.26 -1.51 120.51 122.66 1h0h n ALA 202 Ca -0.09 -0.54 -0.16 0.00 0.00 0.00 0.00 53.44 52.65 1h0h n ALA 202 Cb 0.57 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 1h0h n ALA 202 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1h0h s HIS 203 N -2.72 1.26 -0.47 0.00 3.76 -1.25 -3.03 115.29 112.84 1h0h s HIS 203 Ca 0.15 -1.40 -0.43 0.00 -0.15 0.00 0.00 55.06 53.23 1h0h s HIS 203 Cb 0.18 -0.24 -0.18 0.00 1.11 0.00 0.00 32.58 33.44 1h0h s HIS 203 CO 0.67 -1.08 1.70 -1.71 -0.85 0.00 0.00 174.74 173.47 1h0h n ASN 204 N -1.49 0.97 -0.38 1.40 5.15 -1.26 -4.70 115.26 114.96 1h0h n ASN 204 Ca 0.03 0.93 0.29 0.00 -0.60 0.00 0.00 54.58 55.23 1h0h n ASN 204 Cb 0.62 -0.84 0.56 0.00 -0.53 0.00 0.00 39.78 39.59 1h0h n ASN 204 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1h0h h PRO 205 N 6.17 0.22 0.00 1.20 0.11 -1.93 0.15 132.00 137.92 1h0h h PRO 205 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1h0h h PRO 205 Cb 1.31 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1h0h h PRO 205 CO 0.96 0.15 0.00 1.63 -0.21 0.00 0.00 178.00 180.53 1h0h n LYS 206 N -4.80 0.01 0.21 1.05 5.02 -1.26 -0.96 118.16 117.43 1h0h n LYS 206 Ca 0.33 0.26 0.12 0.00 -2.02 0.00 0.00 58.31 57.00 1h0h n LYS 206 Cb 1.15 -1.51 0.18 0.00 -0.02 0.00 0.00 35.03 34.83 1h0h n LYS 206 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1h0h h LEU 207 N 0.00 0.00 0.07 -0.35 3.38 -1.04 -3.30 115.31 114.06 1h0h h LEU 207 Ca 0.00 -0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1h0h h LEU 207 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1h0h h LEU 207 CO 0.00 0.00 -1.97 -1.22 0.09 0.00 0.00 178.44 175.34 1h0h n TYR 208 N -3.06 0.99 -3.64 1.13 4.02 -0.13 -4.82 117.16 111.65 1h0h n TYR 208 Ca 0.04 0.26 -0.03 0.00 -0.01 0.00 0.00 57.90 58.15 1h0h n TYR 208 Cb 0.53 -1.15 -0.07 0.00 -0.02 0.00 0.00 39.34 38.63 1h0h n TYR 208 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1h0h s HIS 209 N -2.56 -0.37 0.54 -0.72 5.04 -0.94 -4.77 115.29 111.50 1h0h s HIS 209 Ca -0.17 0.80 0.23 0.00 -1.54 0.00 0.00 55.06 54.38 1h0h s HIS 209 Cb 0.07 0.32 1.42 0.00 0.04 0.00 0.00 32.58 34.43 1h0h s HIS 209 CO 0.78 -0.18 2.09 1.05 -2.34 0.00 0.00 174.74 176.14 1h0h h GLU 210 N 4.93 0.00 -0.46 2.88 4.11 -1.85 -1.46 114.58 122.73 1h0h h GLU 210 Ca -0.28 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.00 1h0h h GLU 210 Cb 1.18 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 1h0h h GLU 210 CO 0.18 0.00 0.09 0.66 0.07 0.00 0.00 179.01 180.01 1h0h n TYR 211 N -4.30 1.53 -0.20 2.06 4.01 -1.26 -4.71 117.16 114.29 1h0h n TYR 211 Ca 0.02 -1.26 -0.02 0.00 -0.16 0.00 0.00 57.90 56.48 1h0h n TYR 211 Cb 0.32 -0.51 0.09 0.00 -0.31 0.00 0.00 39.34 38.92 1h0h n TYR 211 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h0h h ALA 212 N 1.71 0.76 -2.19 -0.72 0.00 -1.53 -3.43 119.26 113.85 1h0h h ALA 212 Ca 0.19 0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.54 1h0h h ALA 212 Cb 1.85 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 19.47 1h0h h ALA 212 CO 0.47 -0.10 -0.73 0.14 0.00 0.00 0.00 179.25 179.04 1h0h s VAL 213 N -6.11 2.68 -2.00 0.00 -7.23 -1.26 -4.86 120.40 101.63 1h0h s VAL 213 Ca -0.13 -2.29 0.11 0.00 -1.81 0.00 0.00 61.98 57.86 1h0h s VAL 213 Cb 0.16 -2.44 0.31 0.00 0.56 0.00 0.00 36.38 34.97 1h0h s VAL 213 CO 0.74 -0.38 1.08 0.00 -0.31 0.00 0.00 175.10 176.23